Try beta.chemspider
- 14 of 17 defined stereocentres
(3beta,8xi,9xi,14xi,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside
O=C(CCC(C)C)[C@@H](C)[C@]5(O)[C@@]6(C)CCC1[C@@]7(C(=C/CC1C6C[C@@H]5O[C@@H]4OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)c2ccc(OC)cc2)[C@H]4OC(=O)C)\C[C@@H](O)CC7)C
InChI=1S/C47H68O15/c1-24(2)8-15-34(50)25(3)47(55)37(21-33-31-14-11-28-20-29(49)16-18-45(28,5)32(31)17-19-46(33,47)6)60-44-41(59-26(4)48)39(36(52)23-58-44)62-43-40(38(53)35(51)22-57-43)61-42(54)27-9-12-30(56-7)13-10-27/h9-13,24-25,29,31-33,35-41,43-44,49,51-53,55H,8,14-23H2,1-7H3/t25-,29+,31?,32?,33?,35-,36+,37+,38+,39+,40-,41-,43+,44+,45+,46+,47-/m1/s1
MPXTYZZFIJTPPA-HEXCFNENSA-N
CSID:8094796, http://www.chemspider.com/Chemical-Structure.8094796.html (accessed 05:19, May 22, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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